N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide

C14H13N5O2 — CID 15733211

IUPACN-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide
SMILESCOc1ncnc2c1ncn2Cc1cccc(NC=O)c1
InChIInChI=1S/C14H13N5O2/c1-21-14-12-13(15-7-16-14)19(8-17-12)6-10-3-2-4-11(5-10)18-9-20/h2-5,7-9H,6H2,1H3,(H,18,20)
InChIKeyZYXOQZFCVGDZHA-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.45
Rot. Bonds5

About N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide

N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide (PubChem CID 15733211) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide
PubChem CID15733211
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide
SMILESCOc1ncnc2c1ncn2Cc1cccc(NC=O)c1
InChIInChI=1S/C14H13N5O2/c1-21-14-12-13(15-7-16-14)19(8-17-12)6-10-3-2-4-11(5-10)18-9-20/h2-5,7-9H,6H2,1H3,(H,18,20)
InChIKeyZYXOQZFCVGDZHA-UHFFFAOYSA-N
XLogP1.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide?
The IUPAC name of N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide (CID 15733211) is N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide.
What is the SMILES notation for N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide?
The canonical SMILES for N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide is COc1ncnc2c1ncn2Cc1cccc(NC=O)c1.
What is the InChIKey of N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide?
The InChIKey is ZYXOQZFCVGDZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-14-12-13(15-7-16-14)19(8-17-12)6-10-3-2-4-11(5-10)18-9-20/h2-5,7-9H,6H2,1H3,(H,18,20).
What are the key properties of N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide?
N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide has a molecular weight of 283.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide is sourced from PubChem (CID 15733211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).